Geometry & MOs

Info

ID:	334758
PubChem CID:	127253433
Reduced:	O11H22C28 (1)
Stoich.:	A11B22C28 (1)
Weight, g/mol:	372.106984
ΔH_f, kcal/mol:	-332.74
Dipole, Da:	4.96
IP(EA), eV:	-8.28(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-[5-(1,3-dimethyl-2,4,6-trioxo-1,3-diazinan-5-yl)-2-oxo-1,3-dihydroimidazol-4-yl]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=C(C3=C(O2)C=C(C4=C3OC(=C(C4=O)O)C5=CC(=C(C=C5)O)O)O)CC(=O)OC)OC

DOS

IR

Vibrations